2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole

C13H22N2O2 — CID 101340776

IUPAC2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(C(C)(C)C2=NCC(C)(C)O2)O1
InChIInChI=1S/C13H22N2O2/c1-11(2)7-14-9(16-11)13(5,6)10-15-8-12(3,4)17-10/h7-8H2,1-6H3
InChIKeyKRYLMHYIPUBRGH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.43
Rot. Bonds2

About 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole

2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 101340776) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID101340776
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(C(C)(C)C2=NCC(C)(C)O2)O1
InChIInChI=1S/C13H22N2O2/c1-11(2)7-14-9(16-11)13(5,6)10-15-8-12(3,4)17-10/h7-8H2,1-6H3
InChIKeyKRYLMHYIPUBRGH-UHFFFAOYSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole (CID 101340776) is 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(C(C)(C)C2=NCC(C)(C)O2)O1.
What is the InChIKey of 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is KRYLMHYIPUBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)7-14-9(16-11)13(5,6)10-15-8-12(3,4)17-10/h7-8H2,1-6H3.
What are the key properties of 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole?
2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 238.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 101340776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).